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SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1

InChI Key: InChIKey=SSJAAASZEMFKQT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50370876   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50370876
PNG
(CHEMBL223979)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1
Show InChI InChI=1S/C29H26N2OS2/c1-29(2,3)22-13-11-20(12-14-22)27(32)30-23-15-16-25-26(17-23)34-28(31-25)33-18-21-9-6-8-19-7-4-5-10-24(19)21/h4-17H,18H2,1-3H3,(H,30,32)
PDB

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay

J Med Chem 50: 1698-702 (2007)


Article DOI: 10.1021/jm060604z
BindingDB Entry DOI: 10.7270/Q2SB46JC
More data for this
Ligand-Target Pair